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DAL (Stereoisomer)

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PDB entries

ALA : Summary

Code

ALA

One-letter code

Molecule name

ALANINE

Systematic names

Program	Version	Name
ACDLabs	10.04	L-alanine
OpenEye OEToolkits	1.5.0	(2S)-2-aminopropanoic acid

Formula

C3 H7 N O2

Formal charge

Molecular weight

89.093 Da

SMILES

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C
SMILES	CACTVS	3.341	C[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	C[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1

IUPAC InChI key

QNAYBMKLOCPYGJ-REOHCLBHSA-N

Is part of

ZYA , UBY , PSI , PSI , K7J , K7J , HH0 , UB2 , ZRA , OK4 , MHI , X93 , R4C , X94 , R4C , M6M , UML , X92 , M6Y , R4B , R4B , INN , RX4

wwPDB Information
Atom count	13 (6 without Hydrogen)
Polymer type	Amino Acid
Type description	L-PEPTIDE LINKING
Type code	ATOMP
Is modified	No
Standard parent	Not Assigned
Defined at	1999-07-08
Last modified at	2023-11-03
Status	Released
Obsoleted	Not Assigned

ALA : Atoms of Molecule

Total Number of Atoms: 13

Record	Atom Name	Symbol	PDB Name	Stereochemistry	Is Aromatic	Is Leaving Atom	X-Coordinate	Y-Coordinate	Z-Coordinate
1	N	N	N	N	N	N	-0.966	0.493	1.5
2	CA	C	CA	S	N	N	0.257	0.418	0.692
3	C	C	C	N	N	N	-0.094	0.017	-0.716
4	O	O	O	N	N	N	-1.056	-0.682	-0.923
5	CB	C	CB	N	N	N	1.204	-0.62	1.296
6	OXT	O	OXT	N	N	Y	0.661	0.439	-1.742
7	H	H	H	N	N	N	-1.383	-0.425	1.482
8	H2	H	HN2	N	N	Y	-0.676	0.661	2.452
9	HA	H	HA	N	N	N	0.746	1.392	0.682
10	HB1	H	1HB	N	N	N	1.459	-0.33	2.316
11	HXT	H	HXT	N	N	Y	0.435	0.182	-2.647
12	HB2	H	2HB	N	N	N	0.715	-1.594	1.307
13	HB3	H	3HB	N	N	N	2.113	-0.676	0.697

ALA : Chemical Bonds

Total Number of Bonds: 12

Record	First Atom	Second Atom	First Element	Second Element	Bond Order Type	Bond Length	Bond Stereochemistry	Is Aromatic
1	N	CA	N	C	sing	1.47	N	N
2	N	H	N	H	sing	1.01	N	N
3	N	H2	N	H	sing	1.01	N	N
4	CA	C	C	C	sing	1.51	N	N
5	CA	CB	C	C	sing	1.53	N	N
6	CA	HA	C	H	sing	1.09	N	N
7	C	O	C	O	doub	1.21	N	N
8	C	OXT	C	O	sing	1.34	N	N
9	CB	HB1	C	H	sing	1.09	N	N
10	CB	HB2	C	H	sing	1.09	N	N
11	CB	HB3	C	H	sing	1.09	N	N
12	OXT	HXT	O	H	sing	0.97	N	N

ALA : Used in PDB Entries

Total Number of PDB Entries: 178

Ligand Code	PDB Entry ID	Type	Total	Distinct
ALA	1d0k	Bound ligand	2	1
ALA	1e8k	Bound ligand	1	1
ALA	1hsb	Bound ligand	1	1
ALA	1kl6	Bound ligand	1	1
ALA	1pin	Bound ligand	1	1
ALA	1qte	Bound ligand	1	1
ALA	1rxq	Bound ligand	1	1
ALA	1ta9	Bound ligand	2	1
ALA	1tkk	Bound ligand	8	1
ALA	1xrm	Bound ligand	1	1
ALA	1xrn	Bound ligand	1	1
ALA	1yfs	Bound ligand	2	1
ALA	2bd3	Bound ligand	1	1
ALA	2bda	Bound ligand	2	1
ALA	2bdb	Bound ligand	2	1
ALA	2cfe	Bound ligand	1	1
ALA	2cyh	Bound ligand	1	1
ALA	2dfd	Bound ligand	1	1
ALA	2eit	Bound ligand	2	1
ALA	2ejd	Bound ligand	2	1
ALA	2g50	Bound ligand	8	1
ALA	2huu	Bound ligand	1	1
ALA	2ixu	Bound ligand	1	1
ALA	2ixv	Bound ligand	1	1
ALA	2j8f	Bound ligand	2	1
ALA	2j8g	Bound ligand	1	1
ALA	2jb1	Bound ligand	2	1
ALA	2qei	Bound ligand	1	1
ALA	2qer	Bound ligand	1	1
ALA	2wts	Bound ligand	1	1
ALA	2wwd	Bound ligand	1	1
ALA	2z9x	Bound ligand	2	1
ALA	3beg	Bound ligand	1	1
ALA	3c8c	Bound ligand	2	1
ALA	3deq	Bound ligand	4	1
ALA	3der	Bound ligand	4	1
ALA	3des	Bound ligand	4	1
ALA	3dwc	Bound ligand	1	1
ALA	3f48	Bound ligand	1	1
ALA	3gkr	Bound ligand	1	1
ALA	3h41	Bound ligand	1	1
ALA	3iji	Bound ligand	2	1
ALA	3ijq	Bound ligand	2	1
ALA	3ip5	Bound ligand	1	1
ALA	3ipa	Bound ligand	1	1
ALA	3nw3	Bound ligand	1	1
ALA	3q4d	Bound ligand	9	1
ALA	3qv4	Bound ligand	1	1
ALA	3r1z	Bound ligand	2	1
ALA	3tu0	Bound ligand	1	1
ALA	3wo0	Bound ligand	1	1
ALA	3wo1	Bound ligand	1	1
ALA	4cvm	Bound ligand	1	1
ALA	4d2c	Bound ligand	1	1
ALA	4dig	Bound ligand	1	1
ALA	4dpg	Bound ligand	1	1
ALA	4fkh	Bound ligand	1	1
ALA	4g4w	Bound ligand	1	1
ALA	4g4y	Bound ligand	8	1
ALA	4gfi	Bound ligand	4	1
ALA	4guk	Bound ligand	1	1
ALA	4id9	Bound ligand	1	1
ALA	4io5	Bound ligand	2	1
ALA	4lwx	Bound ligand	1	1
ALA	4m6g	Bound ligand	1	1
ALA	4nqr	Bound ligand	2	1
ALA	4nt8	Bound ligand	1	1
ALA	4qfl	Bound ligand	2	1
ALA	4tph	Bound ligand	1	1
ALA	4wcx	Bound ligand	1	1
ALA	4whx	Bound ligand	4	1
ALA	4xl8	Bound ligand	1	1
ALA	4xmu	Bound ligand	1	1
ALA	4xn8	Bound ligand	1	1
ALA	4y2w	Bound ligand	2	1
ALA	4ykj	Bound ligand	2	1
ALA	5a3b	Bound ligand	1	1
ALA	5ak7	Bound ligand	1	1
ALA	5ak8	Bound ligand	1	1
ALA	5b87	Bound ligand	2	1
ALA	5b89	Bound ligand	2	1
ALA	5cpd	Bound ligand	1	1
ALA	5d58	Bound ligand	1	1
ALA	5d59	Bound ligand	1	1
ALA	5inr	Bound ligand	5	1
ALA	5inx	Bound ligand	5	1
ALA	5j8q	Bound ligand	1	1
ALA	5oqt	Bound ligand	1	1
ALA	5oxk	Bound ligand	1	1
ALA	5oxl	Bound ligand	1	1
ALA	5oxn	Bound ligand	1	1
ALA	5pgm	Bound ligand	1	1
ALA	5ucr	Bound ligand	3	1
ALA	5wxp	Bound ligand	1	1
ALA	5wze	Bound ligand	2	1
ALA	5x2n	Bound ligand	4	1
ALA	5z57	Bound ligand	1	1
ALA	6cse	Bound ligand	1	1
ALA	6eom	Bound ligand	1	1
ALA	6f0a	Bound ligand	2	1
ALA	6fcu	Bound ligand	1	1
ALA	6gcn	Bound ligand	2	1
ALA	6gg3	Bound ligand	11	1
ALA	6iop	Bound ligand	1	1
ALA	6n1c	Bound ligand	2	1
ALA	6pxy	Bound ligand	1	1
ALA	6pyi	Bound ligand	1	1
ALA	6sxt	Bound ligand	1	1
ALA	6u6c	Bound ligand	1	1
ALA	6w3y	Bound ligand	2	1
ALA	6wjm	Bound ligand	1	1
ALA	6x7l	Bound ligand	1	1
ALA	6xsj	Bound ligand	1	1
ALA	6yc2	Bound ligand	1	1
ALA	6yx7	Bound ligand	1	1
ALA	6zm5	Bound ligand	1	1
ALA	7ago	Bound ligand	1	1
ALA	7aqu	Bound ligand	1	1
ALA	7bsm	Bound ligand	1	1
ALA	7c82	Bound ligand	1	1
ALA	7d34	Bound ligand	1	1
ALA	7fsg	Bound ligand	1	1
ALA	7fsh	Bound ligand	1	1
ALA	7fsi	Bound ligand	1	1
ALA	7fsj	Bound ligand	1	1
ALA	7fsk	Bound ligand	1	1
ALA	7fsl	Bound ligand	1	1
ALA	7fsm	Bound ligand	1	1
ALA	7fsn	Bound ligand	1	1
ALA	7fsp	Bound ligand	1	1
ALA	7fsq	Bound ligand	1	1
ALA	7fsr	Bound ligand	1	1
ALA	7fss	Bound ligand	1	1
ALA	7fst	Bound ligand	1	1
ALA	7fsu	Bound ligand	1	1
ALA	7fsv	Bound ligand	1	1
ALA	7fsw	Bound ligand	1	1
ALA	7fsx	Bound ligand	1	1
ALA	7fsy	Bound ligand	1	1
ALA	7ft0	Bound ligand	1	1
ALA	7ft1	Bound ligand	1	1
ALA	7ft2	Bound ligand	1	1
ALA	7ft3	Bound ligand	1	1
ALA	7ft4	Bound ligand	1	1
ALA	7ft5	Bound ligand	1	1
ALA	7ft6	Bound ligand	1	1
ALA	7ft7	Bound ligand	1	1
ALA	7ft8	Bound ligand	1	1
ALA	7ft9	Bound ligand	1	1
ALA	7ftc	Bound ligand	1	1
ALA	7ftd	Bound ligand	1	1
ALA	7l1a	Bound ligand	1	1
ALA	7lqj	Bound ligand	1	1
ALA	7lqk	Bound ligand	1	1
ALA	7lql	Bound ligand	1	1
ALA	7m32	Bound ligand	2	1
ALA	7qfo	Bound ligand	1	1
ALA	7rxv	Bound ligand	1	1
ALA	7rxw	Bound ligand	1	1
ALA	7rxx	Bound ligand	1	1
ALA	7uio	Bound ligand	1	1
ALA	7vn0	Bound ligand	1	1
ALA	7xll	Bound ligand	1	1
ALA	7xqv	Bound ligand	1	1
ALA	7ypm	Bound ligand	6	1
ALA	7zvo	Bound ligand	1	1
ALA	7zzk	Bound ligand	1	1
ALA	8b0d	Bound ligand	1	1
ALA	8blu	Bound ligand	1	1
ALA	8f6m	Bound ligand	8	1
ALA	8hrh	Bound ligand	1	1
ALA	8jdw	Bound ligand	1	1
ALA	8jpq	Bound ligand	1	1
ALA	8pkl	Bound ligand	1	1
ALA	8r3v	Bound ligand	1	1
ALA	8rcl	Bound ligand	1	1
ALA	8rcm	Bound ligand	1	1
ALA	8wt1	Bound ligand	8	1
ALA	1aim	Sub-component	1	1
ALA	3t74	Sub-component	1	1
ALA	1aaq	Sub-component	1	1
ALA	1heg	Sub-component	1	1
ALA	1siv	Sub-component	1	1
ALA	1aaq	Sub-component	1	1
ALA	1heg	Sub-component	1	1
ALA	1siv	Sub-component	1	1
ALA	2qxh	Sub-component	1	1
ALA	2qxi	Sub-component	1	1
ALA	2qxj	Sub-component	1	1
ALA	2qxh	Sub-component	1	1
ALA	2qxi	Sub-component	1	1
ALA	2qxj	Sub-component	1	1
ALA	1qrp	Sub-component	1	1
ALA	3fvp	Sub-component	1	1
ALA	2aim	Sub-component	1	1
ALA	6pgd	Sub-component	1	1
ALA	2y2b	Sub-component	1	1
ALA	3o9p	Sub-component	1	1
ALA	4q6n	Sub-component	1	1
ALA	8ay0	Sub-component	3	1
ALA	2x93	Sub-component	1	1
ALA	4gr8	Sub-component	1	1
ALA	2x94	Sub-component	1	1
ALA	4gr8	Sub-component	1	1
ALA	6ocw	Sub-component	14	1
ALA	4c12	Sub-component	1	1
ALA	4c13	Sub-component	1	1
ALA	2x92	Sub-component	1	1
ALA	6ocz	Sub-component	14	1
ALA	4gr0	Sub-component	1	1
ALA	4gr0	Sub-component	1	1
ALA	1bkc	Sub-component	4	1
ALA	2ddf	Sub-component	2	1
ALA	2fv9	Sub-component	1	1
ALA	2i47	Sub-component	2	1
ALA	3e8r	Sub-component	1	1
ALA	3edz	Sub-component	1	1
ALA	3ewj	Sub-component	1	1
ALA	3kmc	Sub-component	1	1
ALA	3kme	Sub-component	1	1
ALA	3l0t	Sub-component	1	1
ALA	3o64	Sub-component	1	1
ALA	2x97	Sub-component	1	1
ALA	3nxq	Sub-component	2	1

Protein Data Bank
in Europe

Bringing Structure to Biology

Chemical Components in the PDB

ALA : Summary

Code

One-letter code

Molecule name

Systematic names

Formula

Formal charge

Molecular weight

SMILES

IUPAC InChI

IUPAC InChI key

Is part of

wwPDB Information

Atom count

Polymer type

Type description

Type code

Is modified

Standard parent

Defined at

Last modified at

Status

Obsoleted

ALA : Atoms of Molecule

ALA : Chemical Bonds

ALA : Used in PDB Entries

EMBL-EBI

Services

Research

Training

Industry

About us

Protein Data Bank in Europe

Bringing Structure to Biology

Chemical Components in the PDB

ALA : Summary

Code

One-letter code

Molecule name

Systematic names

Formula

Formal charge

Molecular weight

SMILES

IUPAC InChI

IUPAC InChI key

Is part of

wwPDB Information

Atom count

Polymer type

Type description

Type code

Is modified

Standard parent

Defined at

Last modified at

Status

Obsoleted

ALA : Atoms of Molecule

ALA : Chemical Bonds

ALA : Used in PDB Entries

EMBL-EBI

Services

Research

Training

Industry

About us

Protein Data Bank
in Europe